#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lyh s HIS 5 N 0.00 -0.05 -0.02 0.58 5.04 -1.26 -3.79 115.29 115.79 3lyh s HIS 5 Ca 0.00 0.12 0.03 0.00 -1.54 0.00 0.00 55.06 53.67 3lyh s HIS 5 Cb 0.00 -0.00 -0.00 0.00 0.04 0.00 0.00 32.58 32.61 3lyh s HIS 5 CO 0.00 -0.16 -0.11 -1.14 -2.34 0.00 0.00 174.74 170.99 3lyh s GLN 6 N -0.57 1.03 -0.13 2.88 0.74 -0.79 -5.01 119.66 117.82 3lyh s GLN 6 Ca -0.07 -0.39 -0.05 0.00 0.05 0.00 0.00 55.36 54.91 3lyh s GLN 6 Cb -0.04 -0.97 -0.04 0.00 1.10 0.00 0.00 33.01 33.06 3lyh s GLN 6 CO 0.01 0.19 0.03 -1.50 -0.55 0.00 0.00 175.29 173.47 3lyh s ILE 7 N -0.05 4.58 -0.11 -2.34 2.07 -1.26 -1.56 121.20 122.53 3lyh s ILE 7 Ca 0.01 -0.13 0.02 0.00 -1.41 0.00 0.00 60.65 59.13 3lyh s ILE 7 Cb -0.07 -2.99 0.01 0.00 0.13 0.00 0.00 42.46 39.54 3lyh s ILE 7 CO 0.00 0.54 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.79 3lyh s ILE 8 N -0.30 1.50 -0.23 2.00 1.01 -0.20 -2.37 121.20 122.60 3lyh s ILE 8 Ca 0.07 -0.64 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 3lyh s ILE 8 Cb -0.12 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 3lyh s ILE 8 CO 0.02 0.44 0.69 -0.76 0.00 0.00 0.00 174.94 175.33 3lyh s LEU 9 N 0.97 4.09 -0.28 2.97 1.02 0.25 -0.40 118.68 127.30 3lyh s LEU 9 Ca -0.07 0.85 -0.09 0.00 0.02 0.00 0.00 54.13 54.84 3lyh s LEU 9 Cb -0.15 -2.97 -0.02 0.00 0.02 0.00 0.00 46.19 43.08 3lyh s LEU 9 CO -0.01 -0.38 0.12 -0.22 0.02 0.00 0.00 176.35 175.87 3lyh s LEU 10 N 2.42 3.81 0.22 1.79 2.96 -0.31 -0.75 118.68 128.83 3lyh s LEU 10 Ca 0.30 -0.37 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 3lyh s LEU 10 Cb -0.16 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3lyh s LEU 10 CO 0.09 -0.12 0.00 0.00 -1.32 0.00 0.00 176.35 175.00 3lyh s ALA 11 N 1.62 3.18 0.12 5.97 0.00 -0.15 -0.12 121.76 132.37 3lyh s ALA 11 Ca 0.05 -1.51 -0.26 0.00 0.00 0.00 0.00 51.96 50.24 3lyh s ALA 11 Cb -0.16 -0.89 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 3lyh s ALA 11 CO 0.05 0.36 1.64 1.25 0.00 0.00 0.00 175.76 179.06 3lyh h HIS 12 N 2.26 -0.69 0.00 0.00 2.76 -1.87 -3.38 115.15 114.23 3lyh h HIS 12 Ca -0.46 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3lyh h HIS 12 Cb 1.23 0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.49 3lyh h HIS 12 CO 0.65 -0.35 0.00 0.41 -1.30 0.00 0.00 177.93 177.34 3lyh n GLY 13 N -1.37 2.31 3.50 5.26 0.00 -1.26 -1.79 105.19 111.84 3lyh n GLY 13 Ca -0.05 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 3lyh n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3lyh s SER 14 N 0.00 -0.52 0.00 1.61 0.15 -1.25 -4.87 113.70 108.82 3lyh s SER 14 Ca 0.00 0.34 0.28 0.00 0.70 0.00 0.00 55.95 57.27 3lyh s SER 14 Cb 0.00 0.48 1.08 0.00 -1.71 0.00 0.00 66.02 65.87 3lyh s SER 14 CO 0.00 -0.65 1.79 -1.20 1.20 0.00 0.00 173.24 174.38 3lyh n SER 15 N 0.34 0.33 -4.61 5.45 7.64 -1.26 -4.31 113.62 117.20 3lyh n SER 15 Ca -0.15 -0.19 -0.43 0.00 1.01 0.00 0.00 58.87 59.11 3lyh n SER 15 Cb 0.60 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 3lyh n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3lyh s ASP 16 N -2.74 6.70 0.43 6.43 2.15 -1.26 -4.93 116.67 123.45 3lyh s ASP 16 Ca 0.21 0.59 0.18 0.00 0.43 0.00 0.00 52.55 53.95 3lyh s ASP 16 Cb 0.19 -2.52 1.10 0.00 -0.30 0.00 0.00 42.92 41.39 3lyh s ASP 16 CO 0.54 -1.05 1.89 0.00 -0.17 0.00 0.00 175.17 176.38 3lyh h ALA 17 N 8.77 2.20 -0.58 3.66 0.00 -2.00 -1.00 119.26 130.31 3lyh h ALA 17 Ca -0.23 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3lyh h ALA 17 Cb 1.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3lyh h ALA 17 CO 1.06 -0.44 0.01 0.00 0.00 0.00 0.00 179.25 179.87 3lyh h ARG 18 N 0.38 1.00 -0.04 0.00 3.08 -1.98 -0.38 114.38 116.44 3lyh h ARG 18 Ca 0.42 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3lyh h ARG 18 Cb 1.04 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 3lyh h ARG 18 CO -0.14 0.97 0.01 2.35 -1.07 0.00 0.00 179.97 182.09 3lyh h TRP 19 N 0.92 0.06 -0.74 3.04 7.01 -1.60 -1.86 115.95 122.78 3lyh h TRP 19 Ca 0.17 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.18 3lyh h TRP 19 Cb 0.52 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.53 3lyh h TRP 19 CO 0.03 0.29 0.49 0.00 -2.79 0.00 0.00 178.44 176.46 3lyh h GLU 21 N 0.97 0.90 -0.54 0.00 4.57 -0.90 0.75 114.58 120.34 3lyh h GLU 21 Ca 0.28 -0.41 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3lyh h GLU 21 Cb -0.06 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 3lyh h GLU 21 CO -0.07 1.06 0.32 1.15 -1.18 0.00 0.00 179.01 180.30 3lyh h THR 22 N 0.72 1.17 -0.34 0.32 2.02 -0.86 -1.41 112.91 114.53 3lyh h THR 22 Ca 0.09 -0.39 -0.12 0.00 0.77 0.00 0.00 66.41 66.76 3lyh h THR 22 Cb 0.82 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3lyh h THR 22 CO 0.07 0.17 -0.28 -0.26 0.37 0.00 0.00 175.52 175.59 3lyh h PHE 23 N 0.72 0.81 -0.77 3.16 -1.00 -0.92 -1.09 116.94 117.85 3lyh h PHE 23 Ca 0.19 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3lyh h PHE 23 Cb -0.00 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.33 3lyh h PHE 23 CO -0.02 0.90 0.50 0.93 -1.61 0.00 0.00 178.31 179.01 3lyh h GLU 24 N 0.60 1.02 -0.51 1.51 4.39 -0.58 -0.42 114.58 120.59 3lyh h GLU 24 Ca 0.07 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 3lyh h GLU 24 Cb 0.79 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 3lyh h GLU 24 CO 0.06 0.69 -0.04 -0.22 -1.16 0.00 0.00 179.01 178.34 3lyh h LYS 25 N 1.04 0.93 -0.80 2.33 1.63 -1.14 -1.68 116.57 118.90 3lyh h LYS 25 Ca 0.28 -0.32 0.09 0.00 -0.85 0.00 0.00 60.65 59.85 3lyh h LYS 25 Cb -0.10 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.41 3lyh h LYS 25 CO -0.06 0.97 0.52 -0.07 -3.45 0.00 0.00 179.45 177.37 3lyh h LEU 26 N 0.80 0.69 0.00 5.20 3.38 -0.73 -2.60 115.31 122.05 3lyh h LEU 26 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3lyh h LEU 26 Cb 0.58 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3lyh h LEU 26 CO 0.03 0.42 -0.19 0.00 0.09 0.00 0.00 178.44 178.80 3lyh h ALA 27 N 1.59 0.90 -0.79 1.53 0.00 -0.90 -3.40 119.26 118.19 3lyh h ALA 27 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3lyh h ALA 27 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3lyh h ALA 27 CO -0.14 0.00 0.42 1.49 0.00 0.00 0.00 179.25 181.02 3lyh h GLU 28 N 0.00 1.11 -0.70 0.00 4.57 -0.89 -0.33 114.58 118.35 3lyh h GLU 28 Ca 0.00 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 3lyh h GLU 28 Cb 0.92 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 3lyh h GLU 28 CO 0.00 0.83 0.27 -1.35 -1.18 0.00 0.00 179.01 177.58 3lyh h PRO 29 N 1.10 1.03 -0.04 0.92 0.11 -1.77 0.55 132.00 133.90 3lyh h PRO 29 Ca 0.28 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 3lyh h PRO 29 Cb 0.06 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 3lyh h PRO 29 CO -0.04 0.84 0.02 1.15 -0.21 0.00 0.00 178.00 179.76 3lyh h THR 30 N 1.01 1.11 -0.73 -1.15 2.02 -1.67 -2.21 112.91 111.29 3lyh h THR 30 Ca 0.23 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3lyh h THR 30 Cb 0.21 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 3lyh h THR 30 CO -0.02 0.09 0.39 0.58 0.37 0.00 0.00 175.52 176.93 3lyh h VAL 31 N -0.06 1.22 -0.10 3.16 2.07 -0.62 -0.18 116.25 121.74 3lyh h VAL 31 Ca 0.01 -0.57 -0.14 0.00 0.82 0.00 0.00 66.70 66.83 3lyh h VAL 31 Cb 0.13 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3lyh h VAL 31 CO -0.00 0.25 -0.55 -0.33 0.02 0.00 0.00 177.57 176.96 3lyh h GLU 32 N 1.02 0.30 0.10 1.57 5.08 -0.92 -3.36 114.58 118.38 3lyh h GLU 32 Ca 0.26 -0.19 -0.36 0.00 -1.00 0.00 0.00 59.36 58.07 3lyh h GLU 32 Cb 0.04 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3lyh h GLU 32 CO -0.04 0.77 -2.01 0.45 -1.00 0.00 0.00 179.01 177.18 3lyh n SER 33 N -3.92 1.91 -4.50 1.42 2.88 -0.83 -4.90 113.62 105.67 3lyh n SER 33 Ca -0.02 0.20 -0.35 0.00 -1.33 0.00 0.00 58.87 57.37 3lyh n SER 33 Cb 0.58 -0.69 -0.12 0.00 -0.75 0.00 0.00 64.21 63.24 3lyh n SER 33 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3lyh s ILE 34 N -2.56 4.29 -0.09 2.46 1.01 -0.12 -5.05 121.20 121.15 3lyh s ILE 34 Ca -0.21 -0.20 -0.36 0.00 0.00 0.00 0.00 60.65 59.88 3lyh s ILE 34 Cb 0.07 -2.96 -0.14 0.00 0.01 0.00 0.00 42.46 39.45 3lyh s ILE 34 CO 0.76 0.41 1.74 -1.84 0.00 0.00 0.00 174.94 176.01 3lyh n GLU 35 N 4.25 1.77 -0.71 2.79 -0.00 -1.26 -2.15 120.64 125.33 3lyh n GLU 35 Ca -0.17 0.65 0.00 0.00 -0.00 0.00 0.00 57.16 57.64 3lyh n GLU 35 Cb 0.52 -2.41 0.00 0.00 -0.00 0.00 0.00 31.44 29.55 3lyh n GLU 35 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3lyh n ASN 36 N 5.33 -2.28 -4.65 -1.84 3.02 -1.26 -4.82 115.26 108.76 3lyh n ASN 36 Ca 0.22 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 3lyh n ASN 36 Cb 0.23 -2.77 0.01 0.00 -0.61 0.00 0.00 39.78 36.65 3lyh n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lyh n ALA 37 N 1.00 0.70 -3.00 5.41 0.00 -0.91 -4.68 120.51 119.03 3lyh n ALA 37 Ca 0.00 0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.56 3lyh n ALA 37 Cb 0.19 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 3lyh n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lyh s ALA 38 N -1.25 -0.55 0.05 0.00 0.00 -1.00 -4.73 121.76 114.28 3lyh s ALA 38 Ca 0.63 -0.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.36 3lyh s ALA 38 Cb -0.53 0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 3lyh s ALA 38 CO 0.57 -0.35 0.52 -1.50 0.00 0.00 0.00 175.76 175.00 3lyh s ILE 39 N -2.25 4.82 0.12 0.00 2.07 -1.26 -0.59 121.20 124.12 3lyh s ILE 39 Ca -0.07 1.10 0.03 0.00 -1.41 0.00 0.00 60.65 60.30 3lyh s ILE 39 Cb -0.02 -3.84 -0.04 0.00 0.13 0.00 0.00 42.46 38.69 3lyh s ILE 39 CO -0.02 0.55 -0.09 0.00 -1.91 0.00 0.00 174.94 173.48 3lyh s ALA 40 N -1.11 1.20 0.00 1.50 0.00 0.07 -4.65 121.76 118.77 3lyh s ALA 40 Ca 0.28 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3lyh s ALA 40 Cb -0.19 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3lyh s ALA 40 CO 0.17 -0.14 0.00 0.66 0.00 0.00 0.00 175.76 176.45 3lyh n TYR 41 N 0.01 0.00 -0.69 0.00 4.01 0.21 -0.98 117.16 119.72 3lyh n TYR 41 Ca -0.12 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.32 3lyh n TYR 41 Cb 0.60 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.83 3lyh n TYR 41 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 3lyh s GLU 43 N 1.67 0.25 0.00 -0.72 -1.05 -0.74 -3.57 118.70 114.53 3lyh s GLU 43 Ca 0.00 1.19 0.00 0.00 -0.15 0.00 0.00 54.97 56.01 3lyh s GLU 43 Cb 0.00 -1.66 0.00 0.00 -0.44 0.00 0.00 34.13 32.03 3lyh s GLU 43 CO 0.00 -3.04 0.00 1.28 0.95 0.00 0.00 175.26 174.45 3lyh n LEU 44 N -4.48 0.00 -4.25 1.83 4.77 -1.26 -3.85 117.00 109.76 3lyh n LEU 44 Ca 0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.83 3lyh n LEU 44 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 3lyh n LEU 44 CO 0.53 0.00 -0.50 0.00 -1.33 0.00 0.00 177.39 176.09 3lyh s ALA 45 N -0.33 1.61 0.07 -1.18 0.00 -1.26 -4.56 121.76 116.11 3lyh s ALA 45 Ca 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 3lyh s ALA 45 Cb 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 3lyh s ALA 45 CO 0.00 0.31 0.32 -1.21 0.00 0.00 0.00 175.76 175.18 3lyh s GLU 46 N -1.71 3.60 0.26 0.00 0.41 -1.26 -3.92 118.70 116.08 3lyh s GLU 46 Ca 0.04 -0.09 -0.19 0.00 -0.41 0.00 0.00 54.97 54.33 3lyh s GLU 46 Cb -0.10 -2.98 -0.09 0.00 -1.78 0.00 0.00 34.13 29.18 3lyh s GLU 46 CO 0.03 0.57 0.75 -1.25 -0.49 0.00 0.00 175.26 174.87 3lyh s PRO 47 N -2.18 4.22 0.87 0.39 0.04 -1.26 -4.92 135.00 132.17 3lyh s PRO 47 Ca 0.34 0.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 3lyh s PRO 47 Cb -0.13 -2.75 0.12 0.00 0.04 0.00 0.00 34.50 31.78 3lyh s PRO 47 CO 0.21 0.32 1.10 -1.54 0.04 0.00 0.00 177.00 177.12 3lyh s SER 48 N -1.80 3.72 0.29 6.66 1.04 -1.25 -0.62 113.70 121.74 3lyh s SER 48 Ca 0.47 1.40 -0.01 0.00 0.48 0.00 0.00 55.95 58.29 3lyh s SER 48 Cb -0.15 -2.09 0.48 0.00 0.10 0.00 0.00 66.02 64.36 3lyh s SER 48 CO 0.20 -2.47 1.91 -0.07 0.98 0.00 0.00 173.24 173.79 3lyh h LEU 49 N -1.43 0.95 -0.50 2.42 3.38 -1.90 -2.17 115.31 116.06 3lyh h LEU 49 Ca -0.49 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.51 3lyh h LEU 49 Cb 1.28 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 3lyh h LEU 49 CO 0.56 0.62 0.29 0.44 0.09 0.00 0.00 178.44 180.45 3lyh h ASP 50 N 1.09 0.47 -0.16 -0.43 3.32 -1.93 0.54 116.42 119.32 3lyh h ASP 50 Ca 0.39 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.46 3lyh h ASP 50 Cb 0.14 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3lyh h ASP 50 CO -0.14 0.34 0.07 0.74 -1.72 0.00 0.00 179.24 178.52 3lyh h THR 51 N 0.59 0.98 -0.35 0.35 2.02 -1.84 0.18 112.91 114.84 3lyh h THR 51 Ca 0.20 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 3lyh h THR 51 Cb 0.02 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3lyh h THR 51 CO -0.09 0.03 0.19 0.40 0.37 0.00 0.00 175.52 176.41 3lyh h ILE 52 N 0.15 1.15 -0.25 3.11 1.08 -1.09 -1.98 117.51 119.68 3lyh h ILE 52 Ca 0.07 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 3lyh h ILE 52 Cb 0.03 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 3lyh h ILE 52 CO -0.06 0.16 0.11 0.58 -0.69 0.00 0.00 178.15 178.25 3lyh h VAL 53 N 0.44 1.15 -0.54 1.67 2.07 -0.64 -0.79 116.25 119.62 3lyh h VAL 53 Ca 0.12 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.25 3lyh h VAL 53 Cb 0.08 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3lyh h VAL 53 CO -0.02 0.15 0.26 0.78 0.02 0.00 0.00 177.57 178.77 3lyh h ASN 54 N 0.26 0.36 -0.30 0.57 2.35 -0.64 -0.06 115.58 118.13 3lyh h ASN 54 Ca 0.08 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3lyh h ASN 54 Cb 0.14 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3lyh h ASN 54 CO -0.01 0.24 0.12 0.03 -1.65 0.00 0.00 177.43 176.17 3lyh h ARG 55 N 0.50 0.44 -0.69 0.81 3.08 -1.20 -1.97 114.38 115.35 3lyh h ARG 55 Ca 0.25 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3lyh h ARG 55 Cb 0.18 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3lyh h ARG 55 CO -0.19 0.45 0.39 0.00 -1.07 0.00 0.00 179.97 179.55 3lyh h ALA 56 N 0.97 0.88 -0.49 0.04 0.00 -0.89 -2.82 119.26 116.96 3lyh h ALA 56 Ca 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3lyh h ALA 56 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3lyh h ALA 56 CO -0.01 0.39 0.20 -0.22 0.00 0.00 0.00 179.25 179.61 3lyh h LYS 57 N 0.94 0.73 -0.62 0.00 3.64 -0.94 -0.47 116.57 119.85 3lyh h LYS 57 Ca 0.24 -0.13 0.14 0.00 -1.27 0.00 0.00 60.65 59.64 3lyh h LYS 57 Cb 0.02 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3lyh h LYS 57 CO -0.04 0.65 0.43 0.78 -2.27 0.00 0.00 179.45 178.99 3lyh h GLY 58 N 0.65 0.32 -0.68 5.01 0.00 -1.20 -0.61 103.07 106.56 3lyh h GLY 58 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3lyh h GLY 58 CO -0.01 0.03 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 3lyh n GLN 59 N -4.43 1.64 0.00 4.80 6.02 -0.64 -4.93 117.38 119.84 3lyh n GLN 59 Ca 0.11 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 56.14 3lyh n GLN 59 Cb 0.55 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.44 3lyh n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3lyh n GLY 60 N 1.07 0.67 3.65 1.08 0.00 -0.23 -4.87 105.19 106.56 3lyh n GLY 60 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3lyh n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lyh s VAL 61 N -2.00 5.07 0.00 1.61 1.01 -0.28 -4.12 120.40 121.69 3lyh s VAL 61 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3lyh s VAL 61 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3lyh s VAL 61 CO 0.00 0.14 0.75 -0.62 0.00 0.00 0.00 175.10 175.37 3lyh n GLU 62 N 5.00 1.48 -4.98 2.72 1.02 -1.26 -3.52 120.64 121.09 3lyh n GLU 62 Ca -0.03 -1.03 -0.30 0.00 -0.02 0.00 0.00 57.16 55.78 3lyh n GLU 62 Cb 0.50 -0.88 -0.17 0.00 -0.02 0.00 0.00 31.44 30.87 3lyh n GLU 62 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3lyh s GLN 63 N -0.56 2.68 0.06 3.49 -1.52 -1.25 -0.85 119.66 121.71 3lyh s GLN 63 Ca 0.00 -0.75 0.01 0.00 -1.95 0.00 0.00 55.36 52.67 3lyh s GLN 63 Cb 0.00 -2.07 -0.03 0.00 -0.22 0.00 0.00 33.01 30.68 3lyh s GLN 63 CO 0.00 0.11 -0.06 -0.06 -0.25 0.00 0.00 175.29 175.04 3lyh s PHE 64 N 0.49 0.62 -0.10 0.91 0.40 0.09 -1.88 117.98 118.52 3lyh s PHE 64 Ca -0.16 -0.74 0.02 0.00 -0.60 0.00 0.00 56.93 55.45 3lyh s PHE 64 Cb -0.17 -0.39 0.01 0.00 0.51 0.00 0.00 43.02 42.98 3lyh s PHE 64 CO 0.06 -0.18 -0.15 0.99 0.70 0.00 0.00 175.22 176.64 3lyh s THR 65 N -2.54 1.46 -0.25 0.64 2.01 -0.60 -0.85 115.64 115.50 3lyh s THR 65 Ca -0.02 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.26 3lyh s THR 65 Cb -0.02 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 3lyh s THR 65 CO -0.03 0.43 0.13 -0.69 -0.69 0.00 0.00 174.62 173.77 3lyh s VAL 66 N 0.86 4.94 -0.36 3.82 1.01 0.05 -1.03 120.40 129.69 3lyh s VAL 66 Ca -0.10 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 3lyh s VAL 66 Cb -0.15 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 32.95 3lyh s VAL 66 CO 0.01 0.31 0.14 -0.69 0.00 0.00 0.00 175.10 174.88 3lyh s VAL 67 N 1.47 3.89 -0.06 2.92 1.01 0.46 -0.84 120.40 129.26 3lyh s VAL 67 Ca 0.06 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 3lyh s VAL 67 Cb -0.15 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3lyh s VAL 67 CO 0.07 -0.27 1.35 -2.84 0.00 0.00 0.00 175.10 173.41 3lyh s PRO 68 N 1.40 4.27 -1.44 2.72 0.02 -1.26 -1.16 135.00 139.56 3lyh s PRO 68 Ca -0.00 1.86 -0.11 0.00 0.02 0.00 0.00 61.00 62.77 3lyh s PRO 68 Cb -0.20 -3.66 0.05 0.00 0.02 0.00 0.00 34.50 30.71 3lyh s PRO 68 CO 0.03 -0.61 2.35 1.28 -0.33 0.00 0.00 177.00 179.72 3lyh n LEU 69 N 5.82 7.47 -4.07 -5.54 4.77 0.82 -1.61 117.00 124.66 3lyh n LEU 69 Ca 0.13 -4.43 -0.23 0.00 -0.03 0.00 0.00 56.01 51.45 3lyh n LEU 69 Cb 0.44 -1.55 -0.16 0.00 -2.33 0.00 0.00 43.42 39.83 3lyh n LEU 69 CO 0.58 1.55 -0.47 -0.36 -1.33 0.00 0.00 177.39 177.36 3lyh s PHE 70 N 1.62 1.32 0.28 -1.77 0.40 -1.26 -4.69 117.98 113.88 3lyh s PHE 70 Ca 0.52 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.54 3lyh s PHE 70 Cb 0.15 -0.91 0.42 0.00 0.51 0.00 0.00 43.02 43.19 3lyh s PHE 70 CO -0.06 -0.13 1.70 -0.07 0.70 0.00 0.00 175.22 177.36 3lyh h LEU 71 N 6.32 0.36 -7.55 -0.37 3.38 -1.94 -1.47 115.31 114.03 3lyh h LEU 71 Ca -0.33 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 3lyh h LEU 71 Cb 1.17 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 3lyh h LEU 71 CO 0.48 0.70 -0.04 0.00 0.09 0.00 0.00 178.44 179.67 3lyh s ALA 72 N -4.27 -0.88 -0.17 1.53 0.00 -1.26 -3.90 121.76 112.81 3lyh s ALA 72 Ca -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.74 3lyh s ALA 72 Cb 0.13 0.78 0.03 0.00 0.00 0.00 0.00 23.12 24.06 3lyh s ALA 72 CO 0.78 -0.72 -0.15 0.00 0.00 0.00 0.00 175.76 175.68 3lyh s ALA 73 N -3.85 2.02 1.08 0.00 0.00 -1.26 -5.08 121.76 114.68 3lyh s ALA 73 Ca 0.07 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 3lyh s ALA 73 Cb 0.01 -1.14 0.17 0.00 0.00 0.00 0.00 23.12 22.15 3lyh s ALA 73 CO -0.07 -0.48 0.75 0.41 0.00 0.00 0.00 175.76 176.37 3lyh n GLY 74 N 4.71 -2.02 0.24 0.00 0.00 -1.26 -4.72 105.19 102.13 3lyh n GLY 74 Ca -0.17 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 3lyh n GLY 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3lyh h ARG 75 N 0.00 0.46 0.28 1.61 9.65 -2.00 -1.47 114.38 122.90 3lyh h ARG 75 Ca -0.26 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.58 3lyh h ARG 75 Cb 0.76 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 3lyh h ARG 75 CO 0.18 0.31 -0.13 0.45 2.80 0.00 0.00 179.97 183.57 3lyh h HIS 76 N 0.48 -0.34 -0.94 2.20 3.86 -2.00 -2.92 115.15 115.48 3lyh h HIS 76 Ca 0.30 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.59 3lyh h HIS 76 Cb 0.32 0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.83 3lyh h HIS 76 CO -0.14 -0.19 0.58 -0.07 0.86 0.00 0.00 177.93 178.97 3lyh h LEU 77 N -0.41 0.87 -1.90 2.43 3.38 -1.86 0.18 115.31 118.00 3lyh h LEU 77 Ca -0.04 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3lyh h LEU 77 Cb 0.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3lyh h LEU 77 CO 0.06 0.51 0.10 0.03 0.09 0.00 0.00 178.44 179.23 3lyh h ARG 78 N 0.98 0.14 0.09 1.13 3.08 -1.13 -1.40 114.38 117.27 3lyh h ARG 78 Ca 0.44 -0.01 -0.31 0.00 0.07 0.00 0.00 59.98 60.17 3lyh h ARG 78 Cb 0.34 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3lyh h ARG 78 CO -0.23 0.09 -1.65 -0.22 -1.07 0.00 0.00 179.97 176.89 3lyh h LYS 79 N 0.14 0.20 0.09 0.04 3.64 -1.18 -3.40 116.57 116.10 3lyh h LYS 79 Ca 0.06 -0.34 -0.26 0.00 -1.27 0.00 0.00 60.65 58.84 3lyh h LYS 79 Cb 0.06 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3lyh h LYS 79 CO -0.01 1.16 -1.15 -0.44 -2.27 0.00 0.00 179.45 176.74 3lyh h ASP 80 N -0.29 0.39 0.02 4.20 3.32 -0.43 -2.73 116.42 120.90 3lyh h ASP 80 Ca -0.37 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.28 3lyh h ASP 80 Cb 1.78 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.21 3lyh h ASP 80 CO 0.01 1.28 -0.01 0.58 -1.72 0.00 0.00 179.24 179.38 3lyh h VAL 81 N 0.09 1.30 -0.23 -1.35 2.07 -1.49 -3.09 116.25 113.55 3lyh h VAL 81 Ca -0.11 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3lyh h VAL 81 Cb 1.87 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 3lyh h VAL 81 CO 0.19 0.25 0.13 -0.65 0.02 0.00 0.00 177.57 177.50 3lyh h PRO 82 N -0.44 0.32 -1.17 1.57 0.11 -1.78 -0.76 132.00 129.85 3lyh h PRO 82 Ca -0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3lyh h PRO 82 Cb 0.42 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3lyh h PRO 82 CO 0.00 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.03 3lyh n ALA 83 N -2.50 1.56 0.00 -0.75 0.00 -1.03 -1.18 120.51 116.60 3lyh n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3lyh n ALA 83 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3lyh n ALA 83 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3lyh n ILE 85 N 0.70 0.00 -0.28 0.00 2.08 -0.29 -1.04 119.36 120.53 3lyh n ILE 85 Ca 0.00 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.27 3lyh n ILE 85 Cb 0.09 0.00 0.07 0.00 -0.75 0.00 0.00 39.64 39.04 3lyh n ILE 85 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3lyh h GLU 86 N 0.00 1.03 -0.16 0.38 4.39 -1.42 -0.99 114.58 117.81 3lyh h GLU 86 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3lyh h GLU 86 Cb 0.00 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3lyh h GLU 86 CO 0.00 0.70 0.10 -0.09 -1.16 0.00 0.00 179.01 178.56 3lyh h ARG 87 N 1.05 0.21 -0.78 2.33 1.12 -1.35 -1.15 114.38 115.81 3lyh h ARG 87 Ca 0.28 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.14 3lyh h ARG 87 Cb -0.09 -0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 29.78 3lyh h ARG 87 CO -0.06 0.14 0.49 -0.07 -3.11 0.00 0.00 179.97 177.37 3lyh h LEU 88 N 0.21 0.92 -0.48 3.80 3.38 -1.74 -0.89 115.31 120.50 3lyh h LEU 88 Ca 0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3lyh h LEU 88 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3lyh h LEU 88 CO -0.01 0.69 0.28 -0.33 0.09 0.00 0.00 178.44 179.15 3lyh h GLU 89 N 1.06 0.66 -0.22 1.13 5.08 -1.02 -1.31 114.58 119.96 3lyh h GLU 89 Ca 0.28 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3lyh h GLU 89 Cb -0.08 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 3lyh h GLU 89 CO -0.06 0.50 -0.18 0.00 -1.00 0.00 0.00 179.01 178.28 3lyh h ALA 90 N 1.12 0.32 -0.44 3.43 0.00 -1.05 -0.13 119.26 122.51 3lyh h ALA 90 Ca 0.17 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3lyh h ALA 90 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3lyh h ALA 90 CO -0.03 0.23 -0.00 1.49 0.00 0.00 0.00 179.25 180.94 3lyh h GLU 91 N 0.21 0.78 -0.01 0.00 4.81 -1.10 -3.30 114.58 115.96 3lyh h GLU 91 Ca 0.04 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3lyh h GLU 91 Cb 0.71 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3lyh h GLU 91 CO 0.05 0.84 -0.74 0.72 -0.73 0.00 0.00 179.01 179.15 3lyh n HIS 92 N -4.39 0.00 -3.23 0.92 8.25 -0.50 -4.99 115.22 111.28 3lyh n HIS 92 Ca -0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 3lyh n HIS 92 Cb 0.30 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.49 3lyh n HIS 92 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lyh n GLY 93 N 1.46 -0.29 3.35 -1.41 0.00 -0.09 -5.03 105.19 103.18 3lyh n GLY 93 Ca 0.07 0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 3lyh n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lyh s VAL 94 N -3.31 1.10 -0.16 1.61 -7.23 -1.06 -4.99 120.40 106.35 3lyh s VAL 94 Ca 0.02 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.14 3lyh s VAL 94 Cb -0.00 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 3lyh s VAL 94 CO 0.63 -0.28 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.17 3lyh s THR 95 N -3.37 3.33 -0.13 5.32 2.01 -0.03 -4.50 115.64 118.27 3lyh s THR 95 Ca 0.30 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 3lyh s THR 95 Cb 0.06 -2.45 0.03 0.00 0.01 0.00 0.00 72.50 70.15 3lyh s THR 95 CO 0.10 0.49 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.83 3lyh s ILE 96 N 0.65 1.00 -0.15 1.82 1.01 -1.26 -0.73 121.20 123.55 3lyh s ILE 96 Ca -0.05 -0.39 -0.21 0.00 0.00 0.00 0.00 60.65 60.01 3lyh s ILE 96 Cb -0.15 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3lyh s ILE 96 CO 0.02 0.27 0.60 -0.60 0.00 0.00 0.00 174.94 175.23 3lyh s ARG 97 N 1.70 4.29 -0.45 2.79 3.52 -0.03 -4.97 118.95 125.81 3lyh s ARG 97 Ca 0.03 0.63 -0.22 0.00 -0.13 0.00 0.00 55.73 56.04 3lyh s ARG 97 Cb -0.14 -3.51 0.03 0.00 -1.56 0.00 0.00 34.95 29.77 3lyh s ARG 97 CO -0.08 -0.07 0.71 -1.17 -0.81 0.00 0.00 175.30 173.88 3lyh s LEU 98 N 1.32 4.41 0.73 -0.88 2.96 -1.26 -0.77 118.68 125.19 3lyh s LEU 98 Ca 0.30 -0.26 -0.11 0.00 -0.22 0.00 0.00 54.13 53.84 3lyh s LEU 98 Cb -0.16 -2.82 0.03 0.00 0.50 0.00 0.00 46.19 43.74 3lyh s LEU 98 CO 0.12 -0.85 1.07 0.00 -1.32 0.00 0.00 176.35 175.38 3lyh s ALA 99 N 3.03 2.48 0.75 5.97 0.00 -0.02 -4.97 121.76 129.00 3lyh s ALA 99 Ca 0.26 0.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 3lyh s ALA 99 Cb -0.13 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 19.85 3lyh s ALA 99 CO 0.20 -1.46 1.21 -1.21 0.00 0.00 0.00 175.76 174.50 3lyh s GLU 100 N -5.02 2.01 0.53 0.00 0.41 -1.26 -4.42 118.70 110.94 3lyh s GLU 100 Ca 0.59 1.75 -0.22 0.00 -0.41 0.00 0.00 54.97 56.68 3lyh s GLU 100 Cb -0.15 -1.82 -0.05 0.00 -1.78 0.00 0.00 34.13 30.33 3lyh s GLU 100 CO 0.55 -1.93 1.31 -1.25 -0.49 0.00 0.00 175.26 173.45 3lyh s PRO 101 N -3.99 3.29 0.53 0.39 0.04 -1.26 -4.28 135.00 129.72 3lyh s PRO 101 Ca 0.74 2.12 0.23 0.00 0.04 0.00 0.00 61.00 64.12 3lyh s PRO 101 Cb -0.29 -2.29 1.36 0.00 0.04 0.00 0.00 34.50 33.32 3lyh s PRO 101 CO 0.47 -1.03 2.04 -0.84 0.04 0.00 0.00 177.00 177.67 3lyh h ILE 102 N 1.54 0.81 0.00 0.56 3.07 -1.27 -1.64 117.51 120.59 3lyh h ILE 102 Ca -0.50 -0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.90 3lyh h ILE 102 Cb 1.29 0.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 3lyh h ILE 102 CO 0.58 0.00 0.00 1.23 -1.05 0.00 0.00 178.15 178.91 3lyh h GLY 103 N 0.00 0.00 1.88 0.16 0.00 -1.38 -1.46 103.07 102.28 3lyh h GLY 103 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3lyh h GLY 103 CO -0.00 0.00 -0.07 0.28 0.00 0.00 0.00 176.54 176.74 3lyh n LYS 104 N -2.80 0.14 -3.05 4.80 5.02 -0.62 -4.86 118.16 116.78 3lyh n LYS 104 Ca -0.02 0.10 -0.40 0.00 -2.02 0.00 0.00 58.31 55.98 3lyh n LYS 104 Cb 0.09 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.40 3lyh n LYS 104 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3lyh s ASN 105 N -3.77 7.04 0.59 4.39 3.84 -0.55 -4.95 114.94 121.53 3lyh s ASN 105 Ca 0.12 1.25 0.29 0.00 0.21 0.00 0.00 52.86 54.73 3lyh s ASN 105 Cb 0.16 -2.42 1.73 0.00 -0.55 0.00 0.00 41.25 40.17 3lyh s ASN 105 CO 0.58 -0.05 2.16 1.55 -2.79 0.00 0.00 177.10 178.55 3lyh h PRO 106 N 6.33 0.00 -0.19 0.43 0.13 -1.89 -1.45 132.00 135.36 3lyh h PRO 106 Ca -0.42 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.76 3lyh h PRO 106 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3lyh h PRO 106 CO 0.73 0.00 0.14 0.00 -0.23 0.00 0.00 178.00 178.65 3lyh h ARG 107 N 0.00 0.00 -0.12 0.86 3.08 -1.92 -2.12 114.38 114.16 3lyh h ARG 107 Ca 0.05 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.89 3lyh h ARG 107 Cb 0.30 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.35 3lyh h ARG 107 CO -0.00 0.00 -0.78 -0.07 -1.07 0.00 0.00 179.97 178.05 3lyh h LEU 108 N 0.00 0.79 -0.83 3.04 4.07 -1.53 -1.38 115.31 119.46 3lyh h LEU 108 Ca 0.09 -0.53 0.00 0.00 0.08 0.00 0.00 57.88 57.53 3lyh h LEU 108 Cb 0.38 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 3lyh h LEU 108 CO -0.00 1.31 0.53 1.23 -1.08 0.00 0.00 178.44 180.43 3lyh h GLY 109 N 0.80 1.19 1.03 0.83 0.00 -1.52 -1.06 103.07 104.34 3lyh h GLY 109 Ca -0.05 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 3lyh h GLY 109 CO 0.15 0.46 0.06 1.41 0.00 0.00 0.00 176.54 178.61 3lyh h LEU 110 N 1.14 0.92 -0.69 3.11 3.38 -1.34 -2.40 115.31 119.42 3lyh h LEU 110 Ca 0.30 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3lyh h LEU 110 Cb -0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 3lyh h LEU 110 CO -0.06 0.97 0.45 0.00 0.09 0.00 0.00 178.44 179.89 3lyh h ALA 111 N 0.98 0.88 -0.36 1.53 0.00 -0.97 -2.02 119.26 119.30 3lyh h ALA 111 Ca 0.17 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3lyh h ALA 111 Cb 0.46 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3lyh h ALA 111 CO 0.02 0.32 0.18 0.82 0.00 0.00 0.00 179.25 180.59 3lyh h ILE 112 N 0.94 0.98 -0.75 0.00 2.04 -1.06 -0.13 117.51 119.54 3lyh h ILE 112 Ca 0.25 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 66.08 3lyh h ILE 112 Cb -0.08 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.51 3lyh h ILE 112 CO -0.05 0.07 0.40 -0.09 0.00 0.00 0.00 178.15 178.47 3lyh h ARG 113 N 0.36 0.66 -0.88 2.37 2.43 -1.14 0.39 114.38 118.57 3lyh h ARG 113 Ca 0.15 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3lyh h ARG 113 Cb 0.06 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 3lyh h ARG 113 CO -0.11 0.44 0.50 -0.44 -1.51 0.00 0.00 179.97 178.86 3lyh h ASP 114 N 0.68 1.07 -0.55 -3.80 3.32 -0.64 -0.90 116.42 115.60 3lyh h ASP 114 Ca 0.36 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 3lyh h ASP 114 Cb 0.35 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3lyh h ASP 114 CO -0.25 0.84 0.01 0.58 -1.72 0.00 0.00 179.24 178.70 3lyh h VAL 115 N 1.21 1.26 -0.70 -1.35 2.07 -0.49 -2.13 116.25 116.13 3lyh h VAL 115 Ca 0.31 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.74 3lyh h VAL 115 Cb -0.01 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3lyh h VAL 115 CO -0.05 0.39 0.45 0.58 0.02 0.00 0.00 177.57 178.96 3lyh h VAL 116 N 0.85 1.15 -0.75 2.57 2.07 -0.43 -0.36 116.25 121.35 3lyh h VAL 116 Ca 0.16 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 3lyh h VAL 116 Cb 0.53 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3lyh h VAL 116 CO 0.03 0.17 0.32 0.11 0.02 0.00 0.00 177.57 178.22 3lyh h LYS 117 N 0.92 1.09 -0.58 1.57 1.57 -0.97 0.38 116.57 120.54 3lyh h LYS 117 Ca 0.26 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3lyh h LYS 117 Cb -0.07 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 3lyh h LYS 117 CO -0.07 0.87 0.31 0.93 -0.57 0.00 0.00 179.45 180.92 3lyh h GLU 118 N 1.07 0.81 -0.22 3.15 5.08 -0.84 -2.48 114.58 121.15 3lyh h GLU 118 Ca 0.25 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 3lyh h GLU 118 Cb 0.16 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3lyh h GLU 118 CO -0.03 0.62 -0.24 0.93 -1.00 0.00 0.00 179.01 179.30 3lyh h GLU 119 N 0.78 0.40 -0.36 2.33 4.39 -0.39 -2.09 114.58 119.64 3lyh h GLU 119 Ca 0.20 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 3lyh h GLU 119 Cb 0.06 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3lyh h GLU 119 CO -0.03 0.61 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.27 3lyh h LEU 120 N 0.36 0.59 -0.62 1.33 3.38 -0.82 0.18 115.31 119.71 3lyh h LEU 120 Ca 0.06 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 3lyh h LEU 120 Cb 0.61 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3lyh h LEU 120 CO 0.04 0.72 -0.25 -0.33 0.09 0.00 0.00 178.44 178.72 3lyh h GLU 121 N 0.56 0.82 -0.51 1.13 5.08 -1.03 -2.86 114.58 117.78 3lyh h GLU 121 Ca 0.10 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 3lyh h GLU 121 Cb 0.50 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3lyh h GLU 121 CO 0.03 0.98 0.09 0.07 -1.00 0.00 0.00 179.01 179.18 3lyh h ARG 122 N 0.71 0.84 0.00 2.33 -0.00 -1.20 -3.52 114.38 113.54 3lyh h ARG 122 Ca 0.09 -0.22 0.00 0.00 -0.00 0.00 0.00 59.98 59.85 3lyh h ARG 122 Cb 0.78 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 30.65 3lyh h ARG 122 CO 0.06 0.83 0.00 0.43 -0.00 0.00 0.00 179.97 181.29